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    Chemistry

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    Also known as: Tenapanor hcl, 1234365-97-9, Azd-1722 hydrochloride, Tenapanor dihydrochloride, Tenapanor hydrochloride [usan], Rdx-5791
    Molecular Formula
    C50H68Cl6N8O10S2
    Molecular Weight
    1218.0  g/mol
    InChI Key
    VFRAXTZDILCRKY-OWRGXFNZSA-N
    FDA UNII
    50605O2ZNS
    Tenapanor Hydrochloride
    1 2D Structure

    Tenapanor Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea;dihydrochloride
    2.1.2 InChI
    InChI=1S/C50H66Cl4N8O10S2.2ClH/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54;;/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64);2*1H/t43-,44-;;/m0../s1
    2.1.3 InChI Key
    VFRAXTZDILCRKY-OWRGXFNZSA-N
    2.1.4 Canonical SMILES
    CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)C5CN(CC6=C5C=C(C=C6Cl)Cl)C.Cl.Cl
    2.1.5 Isomeric SMILES
    CN1C[C@H](C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)[C@@H]5CN(CC6=C5C=C(C=C6Cl)Cl)C.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    50605O2ZNS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azd1722

    2. Rdx5791

    3. Tenapanor

    2.3.2 Depositor-Supplied Synonyms

    1. Tenapanor Hcl

    2. 1234365-97-9

    3. Azd-1722 Hydrochloride

    4. Tenapanor Dihydrochloride

    5. Tenapanor Hydrochloride [usan]

    6. Rdx-5791

    7. Azd1722 Hydrochloride

    8. Tenapanor (hydrochloride)

    9. 50605o2zns

    10. Ibsrela

    11. Rdx5791

    12. 1-[2-[2-[2-[[3-[(4s)-6,8-dichloro-2-methyl-3,4-dihydro-1h-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4s)-6,8-dichloro-2-methyl-3,4-dihydro-1h-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea;dihydrochloride

    13. N,n'-(10,17,-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosane-1,26-diyl)bis(((4s)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide) Dihydrochloride

    14. Tenapanor Hydrochloride (usan)

    15. 17-[[[3-[(4s)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]phenyl]sulfonyl]amino]-n-[2-[2-[2-[[[3-[(4s)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]phenyl]sulfonyl]amino]ethoxy]ethoxy]ethyl]-8-oxo-12,15-dioxa-2,7,9-triazaheptadecanamide Dihydrochloride

    16. Unii-50605o2zns

    17. Tenapanor 2hcl

    18. Ibsrela (tn)

    19. Tenapanordihydrochloride

    20. Chembl3301627

    21. Dtxsid701027856

    22. Tenapanor Hydrochloride [mi]

    23. Hy-15991a

    24. Tenapanor Hydrochloride [jan]

    25. Tenapanor Hydrochloride [who-dd]

    26. Cs-0066545

    27. Tenapanor Hydrochloride [orange Book]

    28. D11653

    29. D87161

    30. Q27260760

    31. 12,15-dioxa-2,7,9-triazaheptadecanamide, 17-(((3-((4s)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenyl)sulfonyl)amino)-n-(2-(2-(2-(((3-((4s)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenyl)sulfonyl)amino)ethoxy)ethoxy)ethyl)-8-oxo-, Hydrochloride (1:2)

    32. 3-((s)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-n-(26-((3-((s)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)sulfonamido)-10,17-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosyl)benzenesulfonamide Dihydrochloride

    2.4 Create Date
    2014-09-27
    3 Chemical and Physical Properties
    Molecular Weight 1218.0 g/mol
    Molecular Formula C50H68Cl6N8O10S2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count29
    Exact Mass1216.260149 g/mol
    Monoisotopic Mass1214.263099 g/mol
    Topological Polar Surface Area235 Ų
    Heavy Atom Count76
    Formal Charge0
    Complexity1770
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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